CPDB(致癌性数据库)中化学物质汇总表(名称、CAS号、分子量、分子式、SMILES 和InChI信息)

5314-33-0
Acrolein oxime
361.6612 C14H7ClF3NO5 56.064 C3H4O
130.1864 C7H14O2 71.0786 C3H5NO
7008-42-6
Acronycine
79-06-1
Acrylamide
79-10-7
107-13-1 8052-16-2
Acrylic acid
Acrylonitrile Actinomycin C
321.375 C20H19NO3 71.0786 C3H5NO 72.0634 C3H4O2 53.0634 C3H3N
50-76-0
Actinomycin D
628-94-4
Adipamide
3688-53-7
AF-2
1'-Acetoxysafrole
220.2213 C12H12O4
65734-38-5
N'-Acetyl-4-(hydroxymethyl) phenylhydrazine
180.206 C9H12N2O2
1078-38-2
1-Acetyl-2-isonicotinoylhydrazine
179.178 C8H9N3O2
403.4494 C16H25N3O7S 159.1876 C6H13N3O2 148.2042 C10H12O
4180-23-8
trans-Anethole
148.2042 C10H12O
15879-93-3
Anhydroglucochloral
309.52834 C8H11Cl3O6
101-05-3 62-53-3
223.2306 C14H9NO2
97-56-3
o-Aminoazotoluene
225.2926 C14H15N3
60-32-2
6-Aminocaproic acid
92-67-1
4-Aminodiphenyl
131.1742 C6H13NO2 169.2256 C12H11N
2113-61-3
3-Amino-4-ethoxyacetanilide
194.2328 C10H14N2O2
6109-97-3 NOCAS
3-Amino-9-ethylcarbazole.HCl 3-Amino-9-ethylcarbazole mixture
246.7389 C14H15ClN2
NOCAS
3-Amino-4-[2-[(2-guanidinothiazol4-yl)methylthio], ethylamino]-1,2,5thiadiazole
Acetamide
103-90-2
Acetaminophen
183.2122 C11H9N3 44.053 C2H4O 100.12 C4H8N2O
59.0676 C2H5NO 59.0676 C2H5NO
151.1646 C8H9NO2
968-81-0
Acetohexamide
324.394 C15H20N2O4S
4-Aminodiphenyl.HCl
205.6865 C12H12ClN
3693-22-9
2-Aminodiphenylene oxide
183.2092 C12H9NO
60142-96-3
1-(Aminomethyl)cyclohexaneacetic acid
171.2388 C9H17NO2
Anilazine Aniline
142-04-1
Aniline.HCl
134-29-2
o-Anisidine.HCl
20265-97-8
p-Anisidine.HCl
118-92-3
Anthranilic acid
84-65-1
9,10-Anthraquinone
275.5243 C9H5Cl3N4 93.128 C6H7N
60-13-9
dl-Amphetamine sulfate
368.4902 C18H28N2O4S
7177-48-2
Ampicillin trihydrate
10589-74-9 9047-13-6
1-Amyl-1-nitrosourea Amylopectin sulfate
104-46-1
Anethole
129.5889 C6H8ClN 159.6151 C7H10ClNO 159.6151 C7H10ClNO 137.1378 C7H7NO2
208.216 C14H8O2
28300-74-5
Antimony potassium tartrate
667.8726 C8H10K2O15Sb2+2
140-57-8
212.1826 C6H4N4O3S
38514-71-5
2-Amino-4-(5-nitro-2-furyl)thiazole
211.1948 C7H5N3O3S
28754-68-9
trans-5-Amino-3[2-(5-nitro-2furyl)vinyl]-1,2,4-oxadiazole
222.1598 C8H6N4O4
201.3082 C11H23NO2 53.4913 ClH4N
3012-65-5 1336-21-6
Ammonium citrate Ammonium hydroxide
226.1858 C6H14N2O7 35.0456 H5NO
57-43-2
Amobarbital
226.2748 C11H18N2O3
1255.4322 C62H86N12O16 144.173 C6H12N2O2
248.1946 C11H8N2O5
29611-03-8
Aflatoxicol
314.294 C17H14O6
1162-65-8 1402-68-2 9002-18-0
Aflatoxin B1 Aflatoxin, crude Agar
99-57-0
2-Amino-4-nitrophenol
121-88-0
2-Amino-5-nitrophenol
119-34-6
4-Amino-2-nitrophenol
154.125 C6H6N2O3 154.125 C6H6N2O3 154.125 C6H6N2O3
2104-09-8
2-Amino-4-(p-nitrophenyl)thiazole
CAS TestedForm ChemName
MolWeight Formula
26148-68-5 75-07-0
A-alpha-C Acetaldehyde
16568-02-8
Acetaldehyde methylformylhydrazone
107-29-9
Acetaldoxime
60-35-5
54381-16-7
2,2´-[(4Aminophenyl)imino]bisethanol sulfate
294.3247 C10H18N2O6S
61-82-5
3-Aminotriazole
84.0804 C2H4N4
2432-99-7 12125-02-9
11-Aminoundecanoic acid Ammonium chloride
364.9132 C12H8Cl6
97-59-6
Allantoin
158.1164 C4H6N4O3
107-18-6 107-05-1
Allyl alcohol Allyl chloride
106-92-3 57-06-7
Allyl glycidyl ether Allyl isothiocyanate
330.4561 C9H14N8S3
82-28-0
1-Amino-2-methylanthraquinone
237.2574 C15H11NO2
3775-55-1
2-Amino-5-(5-nitro-2-furyl)-1,3,4oxadiazole
196.122 C6H4N4O4
712-68-5
Βιβλιοθήκη Baidu
2-Amino-5-(5-nitro-2-furyl)-1,3,4thiadiazole
22131-79-9
Alclofenac
116-06-3
Aldicarb
312.2782 C17H12O6 226.6562 C11H11ClO3 190.2598 C7H14N2O2S
309-00-2 42615-29-2
NOCAS
Aldrin Alkylbenzenesulfonate, linear Alkyldimethylamine oxides, commercial grade
Aramite
334.8573 C15H23ClO4S
61-94-9
10190-99-5 11097-69-1 11096-82-5
Arecoline.HCl Aristolochic acid, sodium salt (77% AA I, 21% AA II) Aroclor 1254 Aroclor 1260
28314-03-6
1-Acetylaminofluorene
223.2738 C15H13NO
53-96-3
2-Acetylaminofluorene
223.2738 C15H13NO
28322-02-3
4-Acetylaminofluorene
223.2738 C15H13NO
18699-02-0
l-Ascorbate, sodium
198.106 C6H7NaO6
50-81-7
l-Ascorbic acid
176.1241 C6H8O6
22839-47-0
Aspartame
294.3066 C14H18N2O5
50-78-2 8003-03-0
Aspirin Asprin, Phenacetin, and Caffeine
520-45-6
3-Acetyl-6-methyl-2,4-pyrandione
168.1488 C8H8O4
114-83-0
1-Acetyl-2-phenylhydrazine
150.1798 C8H10N2O
4075-79-0
4-Acetylaminobiphenyl
211.2628 C14H13NO
180.1598 C9H8O4
68844-77-9
Astemizole
458.5703 C28H31FN4O
51706-40-2
dl-Atenolol.HCl
302.8003 C14H23ClN2O3
1912-24-9
Atrazine
4-Acetylaminophenylacetic acid
193.1992 C10H11NO3
616-91-1
N-Acetylcysteine
163.1949 C5H9NO3S
50594-66-6 107-02-8
Acifluorfen Acrolein
3054-95-3
Acrolein diethylacetal
129.1182 C4H7N3O2 108.5705 C3H9ClN2
10043-67-1
Aluminum potassium sulfate
258.18674 AlKO8S2
81-49-2
1-Amino-2,4-dibromoanthraquinone
381.0228 C14H7Br2NO2
17026-81-2
2835-39-4
Allyl isovalerate
58.0798 C3H6O 76.5255 C3H5Cl 114.1438 C6H10O2 99.1502 C4H5NS 142.1974 C8H14O2
760-56-5
1-Allyl-1-nitrosourea
52207-83-7
Allylhydrazine.HCl
191.6571 C8H14ClNO2
7631-89-2 1327-53-3 7784-46-5
Arsenate, sodium Arsenious oxide Arsenite, sodium
163.92477 AsH2NaO4 395.6828 As4O6
129.91017 AsNaO2
134-03-2
18523-69-8 75-05-8
Acetone[4-(5-nitro-2-furyl)-2thiazolyl] hydrazone
Acetonitrile
127-06-0
Acetoxime
266.274 C10H10N4O3S 41.0524 C2H3N 73.0944 C3H7NO
34627-78-6
221.2332 C9H7N3O2S
121-66-4
2-Amino-5-nitrothiazole
145.1356 C3H3N3O2S
18968-99-5
2-Amino-5-phenyl-2-oxazolin-4-one + Mg(OH)2
234.494 C9H10MgN2O4
117-79-3
2-Aminoanthraquinone